SCHEMBL3480294

SCHEMBL3480294

O=C(NCCOc1cc2cc(S(=O)(=O)NCP(=O)(O)O)sc2cc1OCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 4/20 0.32
CNR2 P34972 1/20 0.32
LIPC P11150 3/20 0.32
LIPG Q9Y5X9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3480053 0.96 XDH (0.39) XDHCA1CA2CA7CA9
SCHEMBL3480325 0.96 XDH (0.39) XDHCA1CA2CA7CA9
SCHEMBL3480637 0.91 CNR2 (0.37) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL3480412 0.88 RAB9A (0.36) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL3480229 0.88 NPY5R (0.39) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL3480682 0.88 RAB9A (0.36) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3480271 0.88 RAB9A (0.43) NPC1RAB9AKMT2ASMN1; SMN2HSP90AA1
SCHEMBL3923115 0.87 CA2 (0.38) CA1CA2
SCHEMBL3480605 0.86 TOP1 (0.35) XDHTP53PDE4APDE4BPDE4C
SCHEMBL3480251 0.85 ALOX5 (0.38) CA1CA2CA9NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US claimed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP claimed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO claimed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 XDH 982/4885TP53 4460/4885PDE4A 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.